1.02010-04-08 22:04:56 UTC2019-11-26 02:56:24 UTCFDB001370Methyl propionateFlavouring ingredientFEMA 2742Methyl ester of propanoic acidMethyl propanoateMethyl propionateMethyl propylatePropanoic acid, methyl esterPropionic acid, methyl esterC4H8O288.105188.0524295methyl propanoatemethyl propionate554-12-1CCC(=O)OCInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3RJUFJBKOKNCXHH-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.Methyl estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupHydrocarbon derivativeMethyl esterMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundWax monoestersLiquidlogp0.68logs0.17solubility1.31e+02 g/lmelting_point-87.5 oClogp0.62pka_strongest_basic-7iupacmethyl propanoateaverage_mass88.1051mono_mass88.0524295smilesCCC(=O)OCformulaC4H8O2inchiInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3inchikeyRJUFJBKOKNCXHH-UHFFFAOYSA-Npolar_surface_area26.3refractivity22.04polarizability9.31rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr3820Specdb::MsIr3821Specdb::CMs13614Specdb::CMs27028Specdb::CMs27133Specdb::CMs27802Specdb::CMs28091Specdb::CMs28132Specdb::CMs28280Specdb::CMs100522Specdb::CMs100523Specdb::CMs100524Specdb::CMs100525Specdb::CMs100526Specdb::CMs100527Specdb::CMs135131Specdb::CMs142865Specdb::MsMs75825Specdb::MsMs75826Specdb::MsMs75827Specdb::MsMs135537Specdb::MsMs135538Specdb::MsMs135539Specdb::MsMs2659570Specdb::MsMs2659571Specdb::MsMs2659572Specdb::MsMs3019521Specdb::MsMs3019522Specdb::MsMs3019523HMDB30062#<Reference:0x0000555675a1ff88>BlackberryType 1specificRubusEvergreen blackberryType 1specificRubus laciniatusapplefreshfruityharshrumstrawberry